CID 45799

63977-53-7

Structural Information

Molecular Formula
C11H18NO
SMILES
CC1=C(C(=C(C=C1)[N+](C)(C)C)C)O
InChI
InChI=1S/C11H17NO/c1-8-6-7-10(12(3,4)5)9(2)11(8)13/h6-7H,1-5H3/p+1
InChIKey
NAQWFRFTVLSDCV-UHFFFAOYSA-O
Compound name
(3-hydroxy-2,4-dimethylphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.13884 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14612 137.7
[M+Na]+ 203.12806 152.8
[M+NH4]+ 198.17266 147.9
[M+K]+ 219.10200 147.3
[M-H]- 179.13156 142.4
[M+Na-2H]- 201.11351 145.9
[M]+ 180.13829 141.8
[M]- 180.13939 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.